PLMD::repliedTrajectory Class Reference

a decorator for replicate the atomic distribution More...

#include <AtomDistribution.h>

Inheritance diagram for PLMD::repliedTrajectory:

Public Member Functions
	repliedTrajectory (std::unique_ptr< AtomDistribution > &&d, const unsigned repeatX, const unsigned repeatY, const unsigned repeatZ, const unsigned nat)
void	frame (std::vector< Vector > &posToUpdate, std::vector< double > &box, unsigned step, Random &rng) override
	Update the input vectors with the position and the box of the frame.
bool	overrideNat (unsigned &natoms) override
	If necessary changes the number of atoms, returns true if that number has been changed.

Static Public Member Functions
static std::unique_ptr< AtomDistribution >	getAtomDistribution (std::string_view atomicDistr)

Private Attributes
std::vector< Vector >	coordinates
std::unique_ptr< AtomDistribution >	distribution
unsigned	rX =1
unsigned	rY =1
unsigned	rZ =1

Detailed Description

a decorator for replicate the atomic distribution

Constructor & Destructor Documentation

repliedTrajectory()

PLMD::repliedTrajectory::repliedTrajectory	(	std::unique_ptr< AtomDistribution > &&	d,
		const unsigned	repeatX,
		const unsigned	repeatY,
		const unsigned	repeatZ,
		const unsigned	nat )

Member Function Documentation

frame()

void PLMD::repliedTrajectory::frame ( std::vector< Vector > & posToUpdate, std::vector< double > & box, unsigned , Random &  )

overridevirtual

Update the input vectors with the position and the box of the frame.

Implements PLMD::AtomDistribution.

getAtomDistribution()

std::unique_ptr< AtomDistribution > PLMD::AtomDistribution::getAtomDistribution ( std::string_view atomicDistr )

staticinherited

overrideNat()

bool PLMD::repliedTrajectory::overrideNat ( unsigned & )

overridevirtual

If necessary changes the number of atoms, returns true if that number has been changed.

Reimplemented from PLMD::AtomDistribution.

Member Data Documentation

coordinates

std::vector<Vector> PLMD::repliedTrajectory::coordinates

private

distribution

std::unique_ptr<AtomDistribution> PLMD::repliedTrajectory::distribution

private

rX

unsigned PLMD::repliedTrajectory::rX =1

private

rY

unsigned PLMD::repliedTrajectory::rY =1

private

rZ

unsigned PLMD::repliedTrajectory::rZ =1

private

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The documentation for this class was generated from the following files:

• tools/AtomDistribution.h
• tools/AtomDistribution.cpp